2-amino-9-(4-chlorophenyl)-3-cyano-8-ethoxycarbonyl-4-methyl-7-phenylpyrido[3',2':4,5]thieno[3,2-b]pyridine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-amino-9-(4-chlorophenyl)-3-cyano-8-ethoxycarbonyl-4-methyl-7-phenylpyrido[3',2':4,5]thieno[3,2-b]pyridine
• 英文别名: Ethyl 4-amino-13-(4-chlorophenyl)-5-cyano-6-methyl-11-phenyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-12-carboxylate
• 化学式: C₂₇H₁₉ClN₄O₂S
• 分子量: 498.992
• InChiKey: XPMKSQMXHIJEJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  130
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  丙酮 、 丙二腈 、 4-(4-Chloro-phenyl)-5-cyano-2-hydroxy-6-mercapto-2-phenyl-1,2,3,4-tetrahydro-pyridine-3-carboxylic acid ethyl ester; compound with piperidine 以 乙醇 为溶剂， 反应 30.0h， 以16%的产率得到2-amino-9-(4-chlorophenyl)-3-cyano-8-ethoxycarbonyl-4-methyl-7-phenylpyrido[3',2':4,5]thieno[3,2-b]pyridine
  参考文献：
  名称：

  Multicomponent one-pot synthesis of pyrido[3′,2′:4,5]thieno[3,2-b]pyridines as a novel approach to condensed pyridines

  摘要：

  Multicomponent one-pot reactions of aromatic aldehydes, cyanwothioacetamide, ethyl benzoylacetate, acetone and malononitrile in the presence of N-methylmorpholine or similar reactions of pyridinethiones or -thiolates with malononitrile and acetone afford the title compounds, which were unknown before.

  DOI：

  10.1070/mc2003v013n06abeh001851

文献信息

• Multicomponent one-pot synthesis of pyrido[3′,2′:4,5]thieno[3,2-b]pyridines as a novel approach to condensed pyridines
  作者：Victor V. Dotsenko、Sergey G. Krivokolysko、Victor P. Litvinov

  DOI：10.1070/mc2003v013n06abeh001851

  日期：2003.1

  Multicomponent one-pot reactions of aromatic aldehydes, cyanwothioacetamide, ethyl benzoylacetate, acetone and malononitrile in the presence of N-methylmorpholine or similar reactions of pyridinethiones or -thiolates with malononitrile and acetone afford the title compounds, which were unknown before.